[(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

C34H58O2 — CID 56935942

IUPAC[(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCC/C=C\CCCCCCCCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10-13,17-18,20-21,24,26H,3-9,14-16,19,22-23,25,27-33H2,1-2H3/b12-10-,13-11-,18-17-,21-20-,26-24-
InChIKeyWMEYKOAPDBHGDW-APIPFSMJSA-N
MW498.84 g/mol
LogP11.15
Rot. Bonds26

About [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

[(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (PubChem CID 56935942) has the molecular formula C34H58O2 and a molecular weight of 498.84 g/mol. Its IUPAC name is [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Name[(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
PubChem CID56935942
Molecular FormulaC34H58O2
Molecular Weight498.84 g/mol
Exact Mass498.44
IUPAC Name[(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCC/C=C\CCCCCCCCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10-13,17-18,20-21,24,26H,3-9,14-16,19,22-23,25,27-33H2,1-2H3/b12-10-,13-11-,18-17-,21-20-,26-24-
InChIKeyWMEYKOAPDBHGDW-APIPFSMJSA-N
XLogP11.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.84
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The IUPAC name of [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (CID 56935942) is [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.
What is the SMILES notation for [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The canonical SMILES for [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is CCCC/C=C\CCCCCCCCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.
What is the InChIKey of [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The InChIKey is WMEYKOAPDBHGDW-APIPFSMJSA-N. The full InChI is InChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10-13,17-18,20-21,24,26H,3-9,14-16,19,22-23,25,27-33H2,1-2H3/b12-10-,13-11-,18-17-,21-20-,26-24-.
What are the key properties of [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
[(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate has a molecular weight of 498.84 g/mol, XLogP of 11.15, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tetradec-9-enyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 56935942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).